Band structure of new layered 17 K superconductor Sr4Sc2Fe2P2O6 in comparison with hypothetical Sr4Sc2Fe2As2O6

Details Band structure of new layered 17 K superconductor Sr4Sc2Fe2P2O6 in comparison with hypothetical Sr4Sc2Fe2As2O6 Band structure of new layered 17 K superconductor Sr4Sc2Fe2P2O6 in comparison with hypothetical Sr4Sc2Fe2As2O6

2009-03-24

arxiv.org/abs/0903.4038v1

Physics

Condensed Matter

Superconductivity

15 pages, 6 figures

Scientific paper

The results of the ab initio FLAPW-GGA calculations of the band structure of the newly synthesized tetragonal (space group P4/nmm) layered iron phosphide-oxide: 17K superconductor Sr4Sc2Fe2P2O6 are presented. For Sr4Sc2Fe2P2O6 the optimized structural data, the energy bands, total and partial densities of states, Fermi surface topology, low-temperature electron specific heat and molar Pauli paramagnetic susceptibility have been determined and discussed in comparison with hypothetical isostructural iron arsenide-oxide phase Sr4Sc2Fe2As2O6 and related layered FeAs and FeP superconductors.

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